1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C110H133F2N21O9 — CID 158274524

IUPAC1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(=O)N(C)C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(F)F)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@@H](C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@H](C)C5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C29H36N6O3.C27H31F2N5O2.2C27H33N5O2/c1-19(36)33-12-8-26-25(18-33)28(31-35(26)22-9-13-38-14-10-22)23-6-4-5-20-15-27(30-16-24(20)23)34-11-7-21(17-34)29(37)32(2)3;1-17(35)32-10-6-24-23(16-32)26(31-34(24)20-7-11-36-12-8-20)21-4-2-3-18-13-25(30-14-22(18)21)33-9-5-19(15-33)27(28)29;2*1-18-6-10-31(16-18)26-14-20-4-3-5-22(23(20)15-28-26)27-24-17-30(19(2)33)11-7-25(24)32(29-27)21-8-12-34-13-9-21/h4-6,15-16,21-22H,7-14,17-18H2,1-3H3;2-4,13-14,19-20,27H,5-12,15-16H2,1H3;2*3-5,14-15,18,21H,6-13,16-17H2,1-2H3/t;;2*18-/m..10/s1
InChIKeyGJLFYKCBFDMTNM-UORZGJIASA-N
MW1931.41 g/mol
LogP16.12
Rot. Bonds14

About 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158274524) has the molecular formula C110H133F2N21O9 and a molecular weight of 1931.41 g/mol. Its IUPAC name is 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID158274524
Molecular FormulaC110H133F2N21O9
Molecular Weight1931.41 g/mol
Exact Mass1930.06
IUPAC Name1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(=O)N(C)C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(F)F)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@@H](C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@H](C)C5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C29H36N6O3.C27H31F2N5O2.2C27H33N5O2/c1-19(36)33-12-8-26-25(18-33)28(31-35(26)22-9-13-38-14-10-22)23-6-4-5-20-15-27(30-16-24(20)23)34-11-7-21(17-34)29(37)32(2)3;1-17(35)32-10-6-24-23(16-32)26(31-34(24)20-7-11-36-12-8-20)21-4-2-3-18-13-25(30-14-22(18)21)33-9-5-19(15-33)27(28)29;2*1-18-6-10-31(16-18)26-14-20-4-3-5-22(23(20)15-28-26)27-24-17-30(19(2)33)11-7-25(24)32(29-27)21-8-12-34-13-9-21/h4-6,15-16,21-22H,7-14,17-18H2,1-3H3;2-4,13-14,19-20,27H,5-12,15-16H2,1H3;2*3-5,14-15,18,21H,6-13,16-17H2,1-2H3/t;;2*18-/m..10/s1
InChIKeyGJLFYKCBFDMTNM-UORZGJIASA-N
XLogP16.12
TPSA274.27 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.41
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11247989, Example 117
CID 132186460
US11247989, Example 125
CID 132186787
US11247989, Example 115
CID 139382540
US11247989, Example 122
CID 139382554
US11247989, Example 14
CID 132168842
US11247989, Example 118
CID 132186441
US11247989, Example 113
CID 132186445
US11247989, Example 114
CID 132186457
US11247989, Example 119
CID 132186459
US11247989, Example 120
CID 132186461
US11247989, Example 129
CID 132186462
US11247989, Example 128
CID 132186788

Frequently Asked Questions

What is the IUPAC name of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158274524) is 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(=O)N(C)C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C(F)F)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@@H](C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@H](C)C5)ncc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GJLFYKCBFDMTNM-UORZGJIASA-N. The full InChI is InChI=1S/C29H36N6O3.C27H31F2N5O2.2C27H33N5O2/c1-19(36)33-12-8-26-25(18-33)28(31-35(26)22-9-13-38-14-10-22)23-6-4-5-20-15-27(30-16-24(20)23)34-11-7-21(17-34)29(37)32(2)3;1-17(35)32-10-6-24-23(16-32)26(31-34(24)20-7-11-36-12-8-20)21-4-2-3-18-13-25(30-14-22(18)21)33-9-5-19(15-33)27(28)29;2*1-18-6-10-31(16-18)26-14-20-4-3-5-22(23(20)15-28-26)27-24-17-30(19(2)33)11-7-25(24)32(29-27)21-8-12-34-13-9-21/h4-6,15-16,21-22H,7-14,17-18H2,1-3H3;2-4,13-14,19-20,27H,5-12,15-16H2,1H3;2*3-5,14-15,18,21H,6-13,16-17H2,1-2H3/t;;2*18-/m..10/s1.
What are the key properties of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1931.41 g/mol, XLogP of 16.12, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N,N-dimethylpyrrolidine-3-carboxamide;1-[3-[3-[3-(difluoromethyl)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(3S)-3-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158274524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).